3-[(2-methylphenyl)-propylsulfonyl-amino]propanoate

Systemtic Name: 3-[(2-methylphenyl)-propylsulfonyl-amino]propanoate Openeye Name: 3-(2-methyl-N-propylsulfonyl-anilino)propanoate CAS Name: 3-(2-methyl-N-propylsulfonylanilino)propanoate IUPAC Name: 3-(2-methyl-N-propylsulfonylanilino)propanoate Traditional Name: 3-(2-methyl-N-propylsulfonyl-anilino)propionate Formula: C13H18NO4S- MolecularWeight: 284.35132

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CCC(=O)[O-])C1=CC=CC=C1C

Isomeric SMILES

CCCS(=O)(=O)N(CCC(=O)[O-])C1=CC=CC=C1C

InChI

InChI=1S/C13H19NO4S/c1-3-10-19(17,18)14(9-8-13(15)16)12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,15,16)/p-1